CID 154699977

Ns00117693

Structural Information

Molecular Formula
C3HF5O2
SMILES
C(OC(C(=O)F)(F)F)(F)F
InChI
InChI=1S/C3HF5O2/c4-1(9)3(7,8)10-2(5)6/h2H
InChIKey
TVUMCYGRGFDDJV-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-2,2-difluoroacetyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

163.98967 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99695 121.4
[M+Na]+ 186.97889 130.2
[M-H]- 162.98239 115.7
[M+NH4]+ 182.02349 141.6
[M+K]+ 202.95283 130.3
[M+H-H2O]+ 146.98693 113.3
[M+HCOO]- 208.98787 137.9
[M+CH3COO]- 223.00352 177.4
[M+Na-2H]- 184.96434 125.4
[M]+ 163.98912 115.5
[M]- 163.99022 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.